- InChI
- InChI=1S/C19H24O2/c1-21-17-4-2-16(3-5-17)18(20)12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3/t13-,14+,15-,19-
- InChI Key
- STPKFTIYXWZWGS-CSVIQDERSA-N
- Formula
- C19H24O2
- SMILES
-
COc1ccc(C(=O)CC23CC4CC(CC(C4)C
2)C3)cc1 - Molecular Weight1
- 284.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 134.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.43 | kJ/mol | Joback Calculated Property |
| log10WS | -5.15 | Crippen Calculated Property | |
| logPoct/wat | 4.484 | Crippen Calculated Property | |
| McVol | 229.670 | ml/mol | McGowan Calculated Property |
| Pc | 1970.05 | kPa | Joback Calculated Property |
| Inp | 2255.00 | NIST | |
| Tboil | 762.13 | K | Joback Calculated Property |
| Tc | 999.19 | K | Joback Calculated Property |
| Tfus | 484.95 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.41; 840.10] | J/mol×K | [762.13; 999.19] | 
|
| Cp,gas | 723.41 | J/mol×K | 762.13 | Joback Calculated Property |
| Cp,gas | 744.17 | J/mol×K | 801.64 | Joback Calculated Property |
| Cp,gas | 764.07 | J/mol×K | 841.15 | Joback Calculated Property |
| Cp,gas | 783.36 | J/mol×K | 880.66 | Joback Calculated Property |
| Cp,gas | 802.29 | J/mol×K | 920.17 | Joback Calculated Property |
| Cp,gas | 821.11 | J/mol×K | 959.68 | Joback Calculated Property |
| Cp,gas | 840.10 | J/mol×K | 999.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Adamantylmethyl 4-methoxyphenyl ketone.
Sources
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